| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 30 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 6.12 | 0.34 | -61.29 | 0 | 4 | -1 | 62 | 459.374 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 6.12 | 0.44 | -55.33 | 1 | 4 | 0 | 63 | 460.382 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-4-E | Arachidonate 5-lipoxygenase (cluster #4 Of 6), Eukaryotic | Eukaryotes | 8200 | 0.24 | Binding ≤ 10μM |
| LT4R1-1-E | Leukotriene B4 Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3250 | 0.26 | Binding ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 7 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LT4R1_HUMAN | Q15722 | Leukotriene B4 Receptor 1, Human | 0.78 | 0.43 | Binding ≤ 1μM |
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 8200 | 0.24 | Binding ≤ 10μM |
| LT4R1_HUMAN | Q15722 | Leukotriene B4 Receptor 1, Human | 0.78 | 0.43 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1.3 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Leukotriene receptors |
